CID 158331002

2913268-67-2

Structural Information

Molecular Formula
C10H13N
SMILES
CC1(CC2=CC=CC=C21)CN
InChI
InChI=1S/C10H13N/c1-10(7-11)6-8-4-2-3-5-9(8)10/h2-5H,6-7,11H2,1H3
InChIKey
GPZWTJGDFOXVHH-UHFFFAOYSA-N
Compound name
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 131.2
[M+Na]+ 170.094018 138.9
[M-H]- 146.097524 135.8
[M+NH4]+ 165.138623 149.0
[M+K]+ 186.067958 139.1
[M+H-H2O]+ 130.102060 121.6
[M+HCOO]- 192.103001 153.9
[M+CH3COO]- 206.118651 182.2
[M+Na-2H]- 168.079466 139.6
[M]+ 147.10425142 138.9
[M]- 147.10534858 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.